N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide

C20H25NO — CID 50979991

IUPACN-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide
SMILESCc1cccc(CN(C(=O)C(C)c2ccccc2)C(C)C)c1
InChIInChI=1S/C20H25NO/c1-15(2)21(14-18-10-8-9-16(3)13-18)20(22)17(4)19-11-6-5-7-12-19/h5-13,15,17H,14H2,1-4H3
InChIKeyQHZGJHBJPCDPJR-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.54
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide

N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide (PubChem CID 50979991) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide
PubChem CID50979991
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide
SMILESCc1cccc(CN(C(=O)C(C)c2ccccc2)C(C)C)c1
InChIInChI=1S/C20H25NO/c1-15(2)21(14-18-10-8-9-16(3)13-18)20(22)17(4)19-11-6-5-7-12-19/h5-13,15,17H,14H2,1-4H3
InChIKeyQHZGJHBJPCDPJR-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
CID 46989736
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-methylphenyl)methyl]benzamide
CID 118246688
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
3-[methyl-[(3-methylphenyl)methyl]amino]-3-phenylpropanoic acid
CID 63074046
1-(3-methylphenyl)-2-phenylpropan-1-one
CID 13096072
(2S)-N-[(2R)-butan-2-yl]-2-[3,3-diphenylpropanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 100674181
(2S)-1-[(3-methylphenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 93162276
3-methyl-2-[methyl-[(3-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186248
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide (CID 50979991) is N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide is Cc1cccc(CN(C(=O)C(C)c2ccccc2)C(C)C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide?
The InChIKey is QHZGJHBJPCDPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15(2)21(14-18-10-8-9-16(3)13-18)20(22)17(4)19-11-6-5-7-12-19/h5-13,15,17H,14H2,1-4H3.
What are the key properties of N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide?
N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 50979991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).